5-nitro-N6-(2-pyridin-4-ylethyl)-N4-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-4,6-diamine

Systemtic Name: 5-nitro-N6-(2-pyridin-4-ylethyl)-N4-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-4,6-diamine Openeye Name: 5-nitro-N6-[2-(4-pyridyl)ethyl]-N4-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-4,6-diamine CAS Name: 5-nitro-N6-(2-pyridin-4-ylethyl)-N4-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-4,6-diamine IUPAC Name: 5-nitro-6-N-(2-pyridin-4-ylethyl)-4-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-4,6-diamine Traditional Name: [5-nitro-6-[2-(4-pyridyl)ethylamino]pyrimidin-4-yl]-(3,4,5-trimethoxybenzyl)amine Formula: C21H24N6O5 MolecularWeight: 440.45246

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC2=C(C(=NC=N2)NCCC3=CC=NC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC2=C(C(=NC=N2)NCCC3=CC=NC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N6O5/c1-30-16-10-15(11-17(31-2)19(16)32-3)12-24-21-18(27(28)29)20(25-13-26-21)23-9-6-14-4-7-22-8-5-14/h4-5,7-8,10-11,13H,6,9,12H2,1-3H3,(H2,23,24,25,26)